{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.51526 0 0 ] "si-unit" "m" "si-value" [ 5.51526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0933018 5.35906 0 ] "si-unit" "m" "si-value" [ -9.33018e-12 5.35906e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.235006 -0.443739 5.60819 ] "si-unit" "m" "si-value" [ 2.35006e-11 -4.43739e-11 5.60819e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0139599 -0.0171452 -0.258284 ] [ 1.4668 1.50235 1.27166 ] [ -0.150248 2.65293 3.01531 ] [ 1.35939 3.8116 4.44507 ] [ 2.6266 -0.11212 2.88055 ] [ 3.83653 1.13315 3.7283 ] [ 2.72617 2.6833 0.230289 ] [ 3.93014 4.1583 1.51189 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.39599e-12 -1.71452e-12 -2.58284e-11 ] [ 1.4668e-10 1.50235e-10 1.27166e-10 ] [ -1.50248e-11 2.65293e-10 3.01531e-10 ] [ 1.35939e-10 3.8116e-10 4.44507e-10 ] [ 2.6266e-10 -1.1212e-11 2.88055e-10 ] [ 3.83653e-10 1.13315e-10 3.7283e-10 ] [ 2.72617e-10 2.6833e-10 2.30289e-11 ] [ 3.930140000000001e-10 4.1583e-10 1.51189e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.915184 3.3244787 2.8903153 ] [ -3.677065 -3.2669967 2.8465661 ] [ 0.9538817 0.47720270000000004 -2.6105461 ] [ 2.0504831 -2.1919965 -1.891532 ] [ -2.6477605 -0.8747668 -1.9708307 ] [ 3.0643206 1.2839066 4.9414035 ] [ 0.8003297 2.3025836 -3.5032513 ] [ 2.3709944 -1.0544117 -0.7021247 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.670639688610656e-09 5.326402093370695e-09 4.6307956385527e-09 ] [ -5.891307624699209e-09 -5.234305776095107e-09 4.560701692556507e-09 ] [ 1.528286971340198e-09 7.645630156217118e-10 -4.182555963399827e-09 ] [ 3.285236111231885e-09 -3.511965574109781e-09 -3.030568372863288e-09 ] [ -4.242180005528157e-09 -1.401530927158951e-09 -3.157618897109864e-09 ] [ 4.90958286440486e-09 2.057045154758384e-09 7.917001226865818e-09 ] [ 1.28226954483623e-09 3.689145641751602e-09 -5.612827375890124e-09 ] [ 3.798751827024848e-09 -1.689353788356217e-09 -1.12492778849426e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.167073 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.993515611077227e-18 } }